SCHEMBL5408570

SCHEMBL5408570

NS(=O)(=O)c1cccc2c1CCNC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.58
CD44 P16070 2/20 0.57
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
MAOB P27338 1/20 0.44
PRCP P42785 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SCN9A Q15858 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
RRM1 P23921 1/20 0.36
RRM2B Q7LG56 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28751491 0.90 PNMT (0.52) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL10350480 0.88 PNMT (0.60) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL3247434 0.83 CD44 (0.53) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL14407965 0.83 CD44 (0.53) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL14874208 0.83 CD44 (0.53) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL11327517 0.81 PNMT (0.59) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL20782838 0.76 CD44 (0.53) PNMTCD44ADRA2AADRA2BADRA2C
SCHEMBL562067 0.75 BCL2L1 (0.52) PNMTCA1CA2CA9
SCHEMBL29469797 0.75 BCL2L1 (0.52) PNMTCA1CA2CA9
SCHEMBL28268909 0.75 BCL2L1 (0.47) PNMTCA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-11634395-B2 Sulfonamide compound or salt thereof Taiho Pharmaceutial Co., Ltd. (JP) 2023-04-25 US disclosed
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 EP disclosed
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2021-08-05 US disclosed
EP-3736267-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
EP-3736270-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-27 US disclosed
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-20 US disclosed
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 US disclosed
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2019-03-14 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
CN-107001278-A Tetrahydro isoquinoline derivative UCB生物制药私人有限公司 2017-08-01 CN disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A PNMT 3349/4885CD44 3004/4885ADRA2A 482/4885
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B PNMT 51/4885CD44 4884/4885ADRA2A 1059/4885
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A PNMT 3349/4885CD44 3004/4885ADRA2A 482/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A PNMT 3349/4885CD44 3004/4885ADRA2A 482/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PNMT 2059/4885CD44 4506/4885ADRA2A 2311/4885
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A PNMT 3349/4885CD44 3004/4885ADRA2A 482/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A PNMT 3349/4885CD44 3004/4885ADRA2A 482/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G PNMT 3280/4885CD44 2190/4885ADRA2A 1626/4885
US-11634395-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 PNMT 4364/4885CD44 3653/4885ADRA2A 3218/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.